Journal Article/Review

FZJ-2015-03612

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Theoretical optical spectroscopy of complex systems

Conte, A. M. (Corresponding Author) ; Violante, C. ; Missori, M. ; Bechstedt, F. ; Teodonio, L. ; Ippoliti, E.FZJ* ; Carloni, P.FZJ* ; Guidoni, L. ; Pulci, O.

2013
Elsevier New York, NY [u.a.]

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Please use a persistent id in citations: doi:10.1016/j.elspec.2013.02.002

Abstract: We review here some of the most reliable and efficient computational theoretical ab initio techniques for the prediction of optical and electronic spectroscopic properties and show some important applications to molecules, surfaces, and solids. We investigate the role of the solvent in the optical absorption spectrum of indole molecule. We study the excited-state properties of a photo-active minimal model molecule for the retinal of rhodopsin, responsible for vision mechanism in animals. We then show a study about spectroscopic properties of Si(1 1 1) surface. Finally we simulate a bulk system: paper, that is mainly made of cellulose, a pseudo-crystalline material representing 40% of annual biomass production in the Earth.

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Contributing Institute(s):

1. GRS (GRS)
2. Computational Biomedicine (IAS-5)

Research Program(s):

1. 899 - ohne Topic (POF2-899) (POF2-899)

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Database coverage:
; Current Contents - Physical, Chemical and Earth Sciences ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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